Theoretical evidence of the CO ... reduction by a Mo-based complex: a DFT study based on the reaction force decomposed into four components.

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Title: Theoretical evidence of the CO ... reduction by a Mo-based complex: a DFT study based on the reaction force decomposed into four components.
Authors: Martínez-Araya JI; Departamento de Ciencias Químicas, Facultad de Ciencias Exactas, Universidad Andres Bello (UNAB), Av. República 275, Santiago, 8370146, Región Metropolitana, Chile. jorge.martinez@unab.cl.
Source: Journal of molecular modeling [J Mol Model] 2025 Mar 12; Vol. 31 (4), pp. 112. Date of Electronic Publication: 2025 Mar 12.
Publication Type: Journal Article
Journal Info: Publisher: Springer Country of Publication: Germany NLM ID: 9806569 Publication Model: Electronic Cited Medium: Internet ISSN: 0948-5023 (Electronic) Linking ISSN: 09485023 NLM ISO Abbreviation: J Mol Model Subsets: MEDLINE; PubMed not MEDLINE
Database: MEDLINE Ultimate
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ISSN:0948-5023
DOI:10.1007/s00894-025-06335-6